N-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide

C16H24N2 — CID 63177863

IUPACN-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide
SMILES[H]/N=C(\C1CCCCC1)N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C16H24N2/c1-12-9-13(2)11-15(10-12)18(3)16(17)14-7-5-4-6-8-14/h9-11,14,17H,4-8H2,1-3H3/b17-16+
InChIKeyLNCBVOUCAVWOIT-WUKNDPDISA-N
MW244.38 g/mol
LogP4.30
Rot. Bonds2

About N-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide

N-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide (PubChem CID 63177863) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide
PubChem CID63177863
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide
SMILES[H]/N=C(\C1CCCCC1)N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C16H24N2/c1-12-9-13(2)11-15(10-12)18(3)16(17)14-7-5-4-6-8-14/h9-11,14,17H,4-8H2,1-3H3/b17-16+
InChIKeyLNCBVOUCAVWOIT-WUKNDPDISA-N
XLogP4.30
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide (CID 63177863) is N-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide is [H]/N=C(\C1CCCCC1)N(C)c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide?
The InChIKey is LNCBVOUCAVWOIT-WUKNDPDISA-N. The full InChI is InChI=1S/C16H24N2/c1-12-9-13(2)11-15(10-12)18(3)16(17)14-7-5-4-6-8-14/h9-11,14,17H,4-8H2,1-3H3/b17-16+.
What are the key properties of N-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide?
N-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide has a molecular weight of 244.38 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-methylcyclohexanecarboximidamide is sourced from PubChem (CID 63177863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).